Information card for entry 7014209

Structure parameters

• Formula: C146 H132 N12 O29 U4
• Calculated formula: C146 H124 N12 O29 U4
• SMILES: [U]1234567Oc8c([O-])cccc8C=[N]2Cc2ccccc2[N]3=Cc2c3[O]1[U]189%10(Oc3ccc2)(Oc2c([O-])cccc2C=[N]8Cc2ccccc2[N]9=Cc2c([O]41)c(O5)ccc2)Oc1c([O-])c(C=Nc2c(CN=Cc3c4O[U]589%11%12%13Oc%14c([O-])cccc%14C=[N]8Cc8ccccc8[N]9=Cc8c9[O]5[U]5%14%15(Oc9ccc8)(Oc8c([O-])cccc8C=[N]%14Cc8ccccc8[N]%15=Cc8c([O]%115)c(O%12)ccc8)([O]%13c4ccc3)Oc3c([O-])c(C=Nc4c(CN=Cc5c(O7)c([O]6%10)ccc5)cccc4)ccc3)cccc2)ccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1635 - 1643
• a: 16.1915 ± 0.0019 Å
• b: 16.759 ± 0.0016 Å
• c: 27.666 ± 0.003 Å
• α: 86.586 ± 0.007°
• β: 89.518 ± 0.006°
• γ: 63.252 ± 0.007°
• Cell volume: 6690.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2031
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No